1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine

C13H24N2O — CID 79900905

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
SMILESNC1CN(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C13H24N2O/c14-11-9-15(10-11)12-4-7-16-13(8-12)5-2-1-3-6-13/h11-12H,1-10,14H2
InChIKeyBPVIENSJSDHIGM-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.51
Rot. Bonds1

About 1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine

1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine (PubChem CID 79900905) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
PubChem CID79900905
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
SMILESNC1CN(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C13H24N2O/c14-11-9-15(10-11)12-4-7-16-13(8-12)5-2-1-3-6-13/h11-12H,1-10,14H2
InChIKeyBPVIENSJSDHIGM-UHFFFAOYSA-N
XLogP1.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
(4aS,7aS)-6-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682694
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902020
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
CID 79904682

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine (CID 79900905) is 1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine is NC1CN(C2CCOC3(CCCCC3)C2)C1.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine?
The InChIKey is BPVIENSJSDHIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-11-9-15(10-11)12-4-7-16-13(8-12)5-2-1-3-6-13/h11-12H,1-10,14H2.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine?
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine is sourced from PubChem (CID 79900905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).